UCSF

ZINC08397723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 31 No

Other Names:

MFCD01004261

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.24 15.14 -16.82 1 5 0 75 470.326 4
Mid Mid (pH 6-8) 7.24 0.39 -42.18 2 5 1 75 471.334 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )